1-cyano-N-(pyridazin-3-ylmethyl)propane-1-sulfonamide

C9H12N4O2S — CID 106833667

IUPAC1-cyano-N-(pyridazin-3-ylmethyl)propane-1-sulfonamide
SMILESCCC(C#N)S(=O)(=O)NCc1cccnn1
InChIInChI=1S/C9H12N4O2S/c1-2-9(6-10)16(14,15)12-7-8-4-3-5-11-13-8/h3-5,9,12H,2,7H2,1H3
InChIKeyAHPBUKMOTXRTTJ-UHFFFAOYSA-N
MW240.29 g/mol
LogP0.20
Rot. Bonds5

About 1-cyano-N-(pyridazin-3-ylmethyl)propane-1-sulfonamide

1-cyano-N-(pyridazin-3-ylmethyl)propane-1-sulfonamide (PubChem CID 106833667) has the molecular formula C9H12N4O2S and a molecular weight of 240.29 g/mol. Its IUPAC name is 1-cyano-N-(pyridazin-3-ylmethyl)propane-1-sulfonamide.

Molecular Properties

Compound Name1-cyano-N-(pyridazin-3-ylmethyl)propane-1-sulfonamide
PubChem CID106833667
Molecular FormulaC9H12N4O2S
Molecular Weight240.29 g/mol
Exact Mass240.07
IUPAC Name1-cyano-N-(pyridazin-3-ylmethyl)propane-1-sulfonamide
SMILESCCC(C#N)S(=O)(=O)NCc1cccnn1
InChIInChI=1S/C9H12N4O2S/c1-2-9(6-10)16(14,15)12-7-8-4-3-5-11-13-8/h3-5,9,12H,2,7H2,1H3
InChIKeyAHPBUKMOTXRTTJ-UHFFFAOYSA-N
XLogP0.20
TPSA95.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.29
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-(pyridazin-3-ylmethyl)propane-1-sulfonamide?
The IUPAC name of 1-cyano-N-(pyridazin-3-ylmethyl)propane-1-sulfonamide (CID 106833667) is 1-cyano-N-(pyridazin-3-ylmethyl)propane-1-sulfonamide.
What is the SMILES notation for 1-cyano-N-(pyridazin-3-ylmethyl)propane-1-sulfonamide?
The canonical SMILES for 1-cyano-N-(pyridazin-3-ylmethyl)propane-1-sulfonamide is CCC(C#N)S(=O)(=O)NCc1cccnn1.
What is the InChIKey of 1-cyano-N-(pyridazin-3-ylmethyl)propane-1-sulfonamide?
The InChIKey is AHPBUKMOTXRTTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O2S/c1-2-9(6-10)16(14,15)12-7-8-4-3-5-11-13-8/h3-5,9,12H,2,7H2,1H3.
What are the key properties of 1-cyano-N-(pyridazin-3-ylmethyl)propane-1-sulfonamide?
1-cyano-N-(pyridazin-3-ylmethyl)propane-1-sulfonamide has a molecular weight of 240.29 g/mol, XLogP of 0.20, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-(pyridazin-3-ylmethyl)propane-1-sulfonamide is sourced from PubChem (CID 106833667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).